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Entry |
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Classification |
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Carotenoid Name
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Bacterioruberin diglucoside
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IUPAC name |
(2S,2'S)-2,2'-Bis-(3-glucosyloxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C62H96O14
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Molecular Weight |
1065.388 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2S,2'S), 3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, psi,psi, 3-Glc, 2-isoprene-3-Glc, 2'-isoprene-3-Glc
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Biological functions/Properties |
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Number of
conjugated double bonds |
13
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Number of
conjugated multiple bonds |
13
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.434
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Hydrogen Bond donors
(Lipinski's definition) |
10
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Hydrogen Bond Acceptors
(Lipinski's definition) |
14
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| LipinskiFailures |
4
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| Complexity of molecule |
0.279
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| Number of heavy atoms |
76
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TPSA
(Topological Polar Surface Area) |
239.220 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
Ref.335: Arpin, N.; Liaaen-Jensen, S.; Trouilloud, M., Acta Chemica Scandinavica, 26(1972), Pages: 2526-2528, "Bacterial Carotenoids. XXXIX. C5O-Carotenoids 10. Bacterioruberin Mono- and Diglucoside.".
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CAS |
-
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Links to other DB |
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